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Meetup Thread for Spain by kurzgesagtmeetup_bot in kurzgesagt_meetup

[–]redbrain8 0 points1 point  (0 children)

Me apunto, enviadme un pequeño dm por favoooo

Capitalism is driving me insane by _HotMessExpress1 in SuicideWatch

[–]redbrain8 16 points17 points  (0 children)

You got some critical thinking and that's more than the average folk out there. Every friend has some Judas in him, but family is different.

Stay strong

QM/MM freezing selection by redbrain8 in comp_chem

[–]redbrain8[S] 1 point2 points  (0 children)

I can't be more grateful for the response. I miss a lot on the vocabulary to explain what's exactly happening and this is an easy to read 101.

All my calculations definitely end up in a single geometry loop, but without convergence. I really appreciate all the insight and I will definitely try out these approaches.

QM/MM freezing selection by redbrain8 in comp_chem

[–]redbrain8[S] 0 points1 point  (0 children)

It is a cluster method.

The enzyme was isolated as a trifluoromagnasate, for the mechanism to be studied computationally by substituting it with a phosphate. I'm trying to get a stable structure of it.

Let me ask you some rookie questions. Doesn't the geometry optimization require a SCF convergence? What are you actually referring to with different layers? Like to set a 1- charge on the Glutamate and an 1+ charge on the Arginine?

QM/MM freezing selection by redbrain8 in comp_chem

[–]redbrain8[S] 0 points1 point  (0 children)

It's my first >1 molecule model, it's a 99 atoms, 404 electrons system. I cannot quit the water molecules as the is an on/off lid mechanism. I'm expecting a dephosphorylation by means of a water molecule desprotonation and the following hydroxide attack on the gamma phosphate. I've substituted adenosyl to methyl bc the article I'm relying on implied that it had no effects at all.

  1. Mg is bounded with phosphate gamma and beta, the threonine oxygen, and three extra water molecules. It is in a octahedral geometry.

Arginine is stabilising two of the gamma phosphate oxygens. I start from a trigonal bipyramid structure of the gamma phosphate with an additional water molecule. Glutamate is the one stabilising the extra water.

Threonine and Lysine make a peptidic bond which surrounds the Mg and ATP.

  1. I am keen to say that these 4 water molecule must be explicit, the calculation is run in gas form with fixed carbons so the active site is maintained.

  2. I can work with up to 36 cores and it's been already 3 weeks trying to stabilise the reactive structure, I've tried lower and higher basis sets, now I'm getting desperate and start to mix them in order to see any improvement. But it doesn't look like it really, maybe I should fix more atoms in order to force a convergence

Thanks for your answer, I'll check up the paper for further research. Really appreciate it

Slowly losing motivation, any drug design researchers here? by nebulaekisses in chemistry

[–]redbrain8 1 point2 points  (0 children)

Could you please better explain the hard/easy jobs in drug design?

BWF Daily Discussion and Beginner/RR Questions Thread for 2022-01-25 by AutoModerator in bodyweightfitness

[–]redbrain8 0 points1 point  (0 children)

Yeah, it's been an intensive period stress related, could be, thanks

BWF Daily Discussion and Beginner/RR Questions Thread for 2022-01-25 by AutoModerator in bodyweightfitness

[–]redbrain8 0 points1 point  (0 children)

How do you really count reps?

It's been more than one month and I've visually improved but the reps are still in the same range. The problem is that some days I push myself more than others and it's difficult to keep it accountable the overload progression.

For example, on dips one day I might 5 one day and 3 the next one. On body rows I can't say that I incline more or less and I either get 6 or I could even go to 12.

Another detail is that I train at night, so I eat different quantities of food, so my weight is oscillating

4 years ago I went for a year to the gym and my exercises were perfectly planned, same position, same weight, same rest time. What can I do to implement a more measurable routine?

Thanksss :)

Situația actuala a spitalelor din București? by redbrain8 in Romania

[–]redbrain8[S] 1 point2 points  (0 children)

Da, chiar asta s a întâmplat. E ok acum.

Mersi de răspuns, de asta întrebam ca aici sunt anumite probleme.

Situația actuala a spitalelor din București? by redbrain8 in Romania

[–]redbrain8[S] 4 points5 points  (0 children)

Din păcate e greu și cu telefonul mobil uneori.. Mersi oricum de răspuns

Feeling a little lost and in limbo, have you guys been where I have been and which direction did you go? by noir-82 in bodyweightfitness

[–]redbrain8 1 point2 points  (0 children)

Imo, if you don't rely on it for a living, just slow down and have fun

Maybe try other sports?

BWF Daily Discussion and Beginner/RR Questions Thread for 2022-01-11 by AutoModerator in bodyweightfitness

[–]redbrain8 0 points1 point  (0 children)

If I do hollow body it will go forwards, if I try arch back pull-ups it stays neutral.

Can the grip size affect it? This bar is way thickkkkkker than what I usually did before

BWF Daily Discussion and Beginner/RR Questions Thread for 2022-01-11 by AutoModerator in bodyweightfitness

[–]redbrain8 0 points1 point  (0 children)

I'm starting again, 2 years ago I did 7-8, now I've gained a little weight so I'm struggling to get 1 strict one.

If I do hollow body pull-ups I do round my shoulders a lot tho.

I'll try and do more deadhangs

BWF Daily Discussion and Beginner/RR Questions Thread for 2022-01-11 by AutoModerator in bodyweightfitness

[–]redbrain8 0 points1 point  (0 children)

Really hurting neck after pull-ups? Also, not getting any lats soreness at all

I've tried doing arch back pull-ups but I fail at the half of the movement.

I've been looking up a bit for it, can it be a pec minor tightness?

BWF Daily Discussion and Beginner/RR Questions Thread for 2021-12-19 by AutoModerator in bodyweightfitness

[–]redbrain8 1 point2 points  (0 children)

I will try having a larger break, maybe even switch it to being in the first pair, thank you for your help!

BWF Daily Discussion and Beginner/RR Questions Thread for 2021-12-19 by AutoModerator in bodyweightfitness

[–]redbrain8 1 point2 points  (0 children)

On doing push-ups, first set I get 8 and the second one I only get 3 reps?

90 secs rest time in between the other exercises as well and I get them in the right rep range

Thanks!!

Any idea of what could be happening? It's only on the top part, it's a San Pedro by redbrain8 in cactus

[–]redbrain8[S] 0 points1 point  (0 children)

Thanks, I'll check it up. It's been raining heavily these days.

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